Department of Chemistry and Biochemistry, Utah State University, 0300 Old Main Hill, Logan, Utah 84322, USA.
J Org Chem. 2008 Dec 5;73(23):9251-8. doi: 10.1021/jo801407e.
The newly developed adaptive natural density partitioning (AdNDP) method has been applied to a series of organic aromatic mono- and polycyclic molecules, including cyclopropenyl cation, cyclopentadienyl anion, benzene, naphthalene, anthracene, phenanthrene, triphenylene, and coronene. The patterns of chemical bonding obtained by AdNDP are consistent with chemical intuition and lead to unique, compact, graphic formulas. The resulting bonding patterns avoid resonant description and are always consistent with the point symmetry of the molecule. The AdNDP representation of aromatic systems seamlessly incorporates localized and delocalized bonding elements.
新开发的自适应自然密度分区（AdNDP）方法已应用于一系列有机芳香单环和多环分子，包括环丙烯阳离子、环戊二烯阴离子、苯、萘、蒽、菲、三联苯和蒄。AdNDP 得到的化学键模式符合化学直觉，并导致独特、紧凑、图形化的公式。所得的键合模式避免了共振描述，并且始终与分子的点对称一致。芳香体系的 AdNDP 表示无缝地包含了局部和离域的键合元素。
